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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19FN8
Molecular Weight 378.4062
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N<sup>5</sup>,N<sup>5</sup>-dimethylpyrimidine-4,5,6-triamine

SMILES

CN(C)C1=C(N)N=C(N=C1N)C2=NN(CC3=C(F)C=CC=C3)C4=NC=CC=C24

InChI

InChIKey=XKUSLYPARDWZIK-UHFFFAOYSA-N
InChI=1S/C19H19FN8/c1-27(2)15-16(21)24-18(25-17(15)22)14-12-7-5-9-23-19(12)28(26-14)10-11-6-3-4-8-13(11)20/h3-9H,10H2,1-2H3,(H4,21,22,24,25)

HIDE SMILES / InChI

Molecular Formula C19H19FN8
Molecular Weight 378.4062
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:55:55 GMT 2023
Edited
by admin
on Sat Dec 16 19:55:55 GMT 2023
Record UNII
G8URD98A3G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-N<sup>5</sup>,N<sup>5</sup>-dimethylpyrimidine-4,5,6-triamine
Systematic Name English
4,5,6-Pyrimidinetriamine, 2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-N<sup>5</sup>,N<sup>5</sup>-dimethyl-
Systematic Name English
Riociguat Impurity 17
Common Name English
2-[1-[(2-Fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-N<sup>5</sup>,N<sup>5</sup>-dimethyl-4,5,6-pyrimidinetriamine
Systematic Name English
Code System Code Type Description
CAS
1169770-52-8
Created by admin on Sat Dec 16 19:55:55 GMT 2023 , Edited by admin on Sat Dec 16 19:55:55 GMT 2023
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FDA UNII
G8URD98A3G
Created by admin on Sat Dec 16 19:55:55 GMT 2023 , Edited by admin on Sat Dec 16 19:55:55 GMT 2023
PRIMARY
PUBCHEM
134313523
Created by admin on Sat Dec 16 19:55:55 GMT 2023 , Edited by admin on Sat Dec 16 19:55:55 GMT 2023
PRIMARY